Geometry & MOs

Info

ID:	410046
PubChem CID:	135082835
Reduced:	BFeO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	393.221294
ΔH_f, kcal/mol:	65.88
Dipole, Da:	3.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.497895
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-2-methyl-3-trimethylsilylazaborol-3-yl)-diphenylphosphane

Drug info:

PubChemData

Smile

B(CCC)(CCC)C1C=CC=C[C-]=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+4]

DOS

IR

Vibrations